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Chrysoine Resorcinol
CAS: 547-57-9 | C12H10N2NaO5S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
547-57-9
Molecular Formula:
C12H10N2NaO5S
Molecular Weight:
317.278 g/mol
Names and Synonyms:
Chrysoine Resorcinol
Tropaeolin O
Food Yellow No. 8
Food Yellow 8
Tropaeolin
Chrysoin
Orange VI
C Yellow 12
Acid Orange 6
E 103
E 103 (dye)
Tropeolin O
Chrysonine S
Yellow T
Tropaeoline
Tropaeolin R
Tertracid Yellow TRO
Sodium azoresorcinolsulfanilate
Resorcin yellow
Resorcinol Yellow A
Resorcinol yellow
Resorcine Yellow O Extra
Resorcine Yellow
Orange Acid G
Neklacid Yellow G
Naphthazine Yellow RP
Hispacid Yellow CG
Gold yellow
Eurocert Chrysoine S
Eniacid Yellow RS
2,4-Dihydroxyazobenzene-4′-sulfonate sodium salt
Dermina Yellow G
Curol Orange G
C.I. Food Yellow 8
Chrysoin S Specially Pure
Chrysoine S Extra Pure
Chrysoine Extra Pure A
Chrysoine Extra
Chrysoine S
Chrysoine N
Chrysoine
Chrysoin G
Cetil Chromine Yellow GR
Acme Yellow Acid Yellow RS
Acid Phosphine G New
Acid Leather Yellow PGW
C.I. 14270
Benzenesulfonic acid, p-(2,4-dihydroxyphenylazo)-, sodium salt
Benzenesulfonic acid, 4-[(2,4-dihydroxyphenyl)azo]-, monosodium salt
C.I. Acid Orange 6, monosodium salt
C.I. Acid Orange 6
Chrysoin S
Benzenesulfonic acid, 4-[2-(2,4-dihydroxyphenyl)diazenyl]-, sodium salt (1:1)
Identifiers:
SMILES:
O=S(=O)(O)c1ccc(N=Nc2ccc(O)cc2O)cc1.[Na]
InChI:
InChI=1S/C12H10N2O5S.Na/c15-9-3-6-11(12(16)7-9)14-13-8-1-4-10(5-2-8)20(17,18)19;/h1-7,15-16H,(H,17,18,19);
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 317.28 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Chrysoine_resorcinol None | Legacy Database |
| cas-canonical-smile | [Na].O=S(=O)(O)C1=CC=C(N=NC2=CC=C(O)C=C2O)C=C1 None | Legacy Database |
| cas-inchi | InChI=1S/C12H10N2O5S.Na/c15-9-3-6-11(12(16)7-9)14-13-8-1-4-10(5-2-8)20(17,18)19;/h1-7,15-16H,(H,17,18,19); None | Legacy Database |
| cas-inchi-key | InChIKey=IHFYTCCYSYGTME-UHFFFAOYSA-N None | Legacy Database |
| cas-name | C.I. Acid Orange 6 None | Legacy Database |
| wikipedia-name | Chrysoine resorcinol None | Legacy Database |
| LogP | 2.3791 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 317.278 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 317.0208117 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 21 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 6 count | RDKit |
| Hydrogen Bond Donors | 3 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 3 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 2 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 119.55000000000001 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 75.95820000000002 | RDKit |
